Cas no 237429-61-7 (1H-Benzimidazole-6-carbonitrile,2-(hydroxymethyl)-)

1H-Benzimidazole-6-carbonitrile,2-(hydroxymethyl)- structure
237429-61-7 structure
Product Name:1H-Benzimidazole-6-carbonitrile,2-(hydroxymethyl)-
CAS No:237429-61-7
MF:C9H7N3O
MW:173.171381235123
CID:245495
PubChem ID:22459201
Update Time:2025-04-19

1H-Benzimidazole-6-carbonitrile,2-(hydroxymethyl)- Chemical and Physical Properties

Names and Identifiers

    • 1H-Benzimidazole-6-carbonitrile,2-(hydroxymethyl)-
    • 1H-Benzimidazole-5-carbonitrile,2-(hydroxymethyl)- (9CI)
    • 1H-Benzimidazole-6-carbonitrile, 2-(hydroxymethyl)-
    • 2-(Hydroxymethyl)-1H-benzimidazole-6-carbonitrile
    • 2-(HYDROXYMETHYL)-1H-BENZO[D]IMIDAZOLE-5-CARBONITRILE
    • 2-(HYDROXYMETHYL)-1H-1,3-BENZODIAZOLE-5-CARBONITRILE
    • 2-(hydroxymethyl)-3H-benzimidazole-5-carbonitrile
    • SCHEMBL7653718
    • E72021
    • DTXSID00625757
    • WS-03157
    • MFCD18807911
    • 237429-61-7
    • AKOS017413575
    • 1H-Benzimidazole-5-carbonitrile,2-(hydroxymethyl)-(9CI)
    • Inchi: 1S/C9H7N3O/c10-4-6-1-2-7-8(3-6)12-9(5-13)11-7/h1-3,13H,5H2,(H,11,12)
    • InChI Key: ICYYSGGLERPRGT-UHFFFAOYSA-N
    • SMILES: OCC1=NC2C=CC(C#N)=CC=2N1

Computed Properties

  • Exact Mass: 173.05901
  • Monoisotopic Mass: 173.058911855g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 234
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.8
  • Topological Polar Surface Area: 72.7?2

Experimental Properties

  • PSA: 72.7
  • LogP: 0.92688

1H-Benzimidazole-6-carbonitrile,2-(hydroxymethyl)- Pricemore >>

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